Chemical ID: 5395528

COCCN(CCOC)C(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])N
Chemical ID:
5395528
Name [?]:
bis(2-methoxyethyl)carbamoylmethyl 4-amino-3-nitro-benzoate
SMILES [?]:
COCCN(CCOC)C(=O)COC(=O)c1ccc(c(c1)[N+](=O)[O-])N
InChi [?]:
InChI=1/C15H21N3O7/c1-23-7-5-17(6-8-24-2)14(19)10-25-15(20)11-3-4-12(16)13(9-11)18(21)22/h3-4,9H,5-8,10,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,17,18,4,6,3,7,21,12,16,19,20,10,14,25,5,22,11,15,23,24,2,8,13/E:(1,2)(5,6)(7,8)(21,22)(23,24)/CRV:18.5/rA:25nCOCCNCCOCCOCOCOCCCCCCN+OO-N/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N3O7
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:2.72712
Area:581.78
Solvation:-11.8174
Coulombic:-78.0691
Bond Count [?]
All:25
Single:19
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:355.343
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:0.49
LogP (Chemaxon):0.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue